Information card for entry 4311726

Structure parameters

• Formula: C18 H25 Cl3 Co N5 O8
• Calculated formula: C18 H25 Cl3 Co N5 O8
• SMILES: [Co]1234(Cl)[N]5(CC[N]1(CC[NH]2CC5)Cc1[n]4cccc1)Cc1[n]3cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Pyridyl-Based Pentadentate Ligands: Base-Catalyzed Hydrolysis of asym-[Co(dmptacn)Cl]2+
• Authors of publication: W. Gregory Jackson; Alistair J. Dickie; Rajumati Bhula; Josephine A. McKeon; Leone Spiccia; Suzanne J. Brudenell; David C. R. Hockless; Anthony C. Willis
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 6549 - 6556
• a: 11.162 ± 0.002 Å
• b: 12.934 ± 0.003 Å
• c: 16.724 ± 0.002 Å
• α: 90°
• β: 105.34 ± 0.01°
• γ: 90°
• Cell volume: 2328.4 ± 0.7 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0704
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for all reflections: 0.0506
• Weighted residual factors for all reflections included in the refinement: 0.0468
• Goodness-of-fit parameter for all reflections: 1.747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.929
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No